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	hartrees
Energy at 0K	-94.503383
Energy at 298.15K	-94.506297
HF Energy	-94.503383
Nuclear repulsion energy	33.006283

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3577	3577	22.67	91.06	0.67	0.80
2	A'	3423	3423	14.28	378.74	0.25	0.40
3	A'	2943	2943	93.04	170.28	0.49	0.65
4	A'	1689	1689	16.84	18.37	0.60	0.75
5	A'	1460	1460	12.27	9.31	0.20	0.34
6	A'	1385	1385	15.23	14.08	0.10	0.18
7	A'	1075	1075	24.39	12.74	0.23	0.38
8	A"	1159	1159	10.41	0.15	0.75	0.86
9	A"	814	814	145.68	0.38	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.782
N2	0.063	-0.521
H3	-0.998	1.095
H4	-0.758	-1.122
H5	0.942	-1.018

	C1	N2	H3	H4	H5
C1		1.3025	1.1063	2.0732	2.0031
N2	1.3025		1.9333	1.0173	1.0102
H3	1.1063	1.9333		2.2306	2.8690
H4	2.0732	1.0173	2.2306		1.7031
H5	2.0031	1.0102	2.8690	1.7031

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.240		C1	N2	H5	119.481
N2	C1	H3	106.471		H4	N2	H5	114.280

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: HSEh1PBE/daug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-1.076
2	N	-0.344
3	H	0.602
4	H	0.233
5	H	0.584

	x	y	z	Total
	-1.339	-3.234	0.000	3.500
CHELPG
AIM
ESP

	x	y	z
x	3.810	0.113	0.000
y	0.113	4.821	0.000
z	0.000	0.000	2.997

<r²>	19.915
(<r²>)^1/2	4.463

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: HSEh1PBE/daug-cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)